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A method for determination of aromatics in 150 degree to 300 degree C fractions of crude petroleum by measurement of aniline-point rise

Description: Report presenting a method for determining aromatics in several fractions of crude petroleum. A general curve for analysis of cuts of crude petroleum with molal average boiling points near 218 degrees Celsius is presented.
Date: June 1948
Creator: Busch, Arthur M.; Cleaves, Alden P. & Hibbard, Robert R.
Partner: UNT Libraries Government Documents Department

Knock-Limited Blending Characteristics of Benzene, Toluene, Mixed Xylenes, and Cumene in an Air-Cooled Cylinder

Description: "An investigation was conducted to determine the knock-limited blending characteristics of leaded fuels containing selected aromatic fuel components (benzene, toluene, mixed xylenes, and cumene). Each of the aromatics was blended with an alkylate blending agent and with a virgin base stock. The blending characteristics of the resulting fuels were determined in a full-scale aircraft-engine cylinder" (p. 1).
Date: February 3, 1945
Creator: Hensley, Reece V. & Breitwieser, Roland
Partner: UNT Libraries Government Documents Department

Asymmetric Intramolecular Alkylation of Chiral Aromatic Imines via Catalytic C-H Bond Activation

Description: The asymmetric intramolecular alkylation of chiral aromatic aldimines, in which differentially substituted alkenes are tethered meta to the imine, was investigated. High enantioselectivities were obtained for imines prepared from aminoindane derivatives, which function as directing groups for the rhodium-catalyzed C-H bond activation. Initial demonstration of catalytic asymmetric intramolecular alkylation also was achieved by employing a sterically hindered achiral imine substrate and catalytic amounts of a chiral amine.
Date: April 16, 2007
Creator: Watzke, Anja; Wilson, Rebecca; O'Malley, Steven; Bergman, Robert & Ellman, Jonathan
Partner: UNT Libraries Government Documents Department

Simultaneously Bound Guests and Chiral Recognition: A Chiral Self-Assembled Supramolecular Host Encapsulates Hydrophobic Guests

Description: Driven by the hydrophobic effect, a water-soluble, chiral, self-assembled supramolecular host is able to encapsulate hydrophobic organic guests in aqueous solution. Small aromatics can be encapsulated in the supramolecular assembly, and the simultaneous encapsulation of multiple guests is observed in many cases. The molecular host assembly is able to recognize different substitutional isomers of disubstituted benzenes with ortho substitution leading to the encapsulation of two guests, but meta or para substitution leading to the encapsulation of only one guest. The scope of hydrophobic guest encapsulation is further explored with chiral natural product guests. Upon encapsulation of chiral guests into the racemic host, diastereomeric host-guest complexes are formed with observed diastereoselectivities of up to 78:22 in the case of fenchone.
Date: March 6, 2008
Creator: Hastings, Courtney J.; Pluth, Michael D.; Biros, Shannon M.; Bergman, Robert G. & Raymond, Kenneth N.
Partner: UNT Libraries Government Documents Department

High Conversion of Coal to Transportation Fuels for the Future With Low HC Gas Production

Description: An announced objective of the Department of Energy in funding this work, and other current research in coal liquefaction, is to produce a synthetic crude from coal at a cost lower than $30.00 per barrel (Task A). A second objective, reflecting a recent change in direction in the synthetic fuels effort of DOE, is to produce a fuel which is low in aromatics, yet of sufficiently high octane number for use in the gasoline- burning transportation vehicles of today. To meet this second objective, research was proposed, and funding awarded, for conversion of the highly-aromatic liquid product from coal conversion to a product high in isoparaffins, which compounds in the gasoline range exhibit a high octane number (Task B).
Date: July 1, 1996
Creator: Oblad, Alex G. & Wiser, Wendell H.
Partner: UNT Libraries Government Documents Department


Description: "Ultrasene" typically contained 57 wt % branched paraffins and cycloparaffins, 40 wt% n-paraffins, 3 wt% aromatics, and less than 0.1 wt% olefins. The n-paraffinic fraction from "Ultrasene" was stable to chemical and radiolytic degradation, whereas the combined branched paraffinic and cycloparaffinic fraction, and the aromatic fraction, were significantly less stable. (auth)
Date: June 1, 1961
Creator: West, D. L.
Partner: UNT Libraries Government Documents Department

An atomic force microcopy study of the mechanical and electricalproperties of monolayer films of molecules with aromatic end groups

Description: The effect of intermolecular {pi}-{pi} stacking on the electrical and mechanical properties of monolayer films molecules containing aromatic groups was studied using atomic force microscopy. Two types of aromatic molecules, (4-mercaptophenyl) anthrylacetylene (MPAA) and (4-mercaptophenyl)-phenylacetylene (MPPA) were used as model systems with different {pi}-{pi} stacking strength. Monolayer films of these molecules on Au(111) surfaces exhibited conductivities differing by more than one order of magnitude, MPAA being the most conductive and MPPA the least conductive. The response to compressive loads by the AFM tip was also found to be very different for both molecules. In MPAA films distinct molecular conductivity changes are observed upon mechanical perturbation. This effect however was not observed on the MPPA film, where intermolecular {pi}-{pi} interactions are likely weaker.
Date: September 6, 2007
Creator: Fang, Liang; Park, J.Y.; Ma, H.; Jen, A.K.-Y. & Salmeron, M.
Partner: UNT Libraries Government Documents Department

Enantioselective Intramolecular Hydroarylation of Alkenes via Directed C-H Bond Activation

Description: Highly enantioselective catalytic intramolecular ortho-alkylation of aromatic imines containing alkenyl groups tethered at the meta position relative to the imine directing group has been achieved using [RhCl(coe){sub 2}]{sub 2} and chiral phosphoramidite ligands. Cyclization of substrates containing 1,1- and 1,2-disubstituted as well as trisubstituted alkenes were achieved with enantioselectivities >90% ee for each substrate class. Cyclization of substrates with Z-alkene isomers proceeded much more efficiently than substrates with E-alkene isomers. This further enabled the highly stereoselective intramolecular alkylation of certain substrates containing Z/E-alkene mixtures via a Rh-catalyzed alkene isomerization with preferential cyclization of the Z-isomer.
Date: May 22, 2008
Creator: Harada, Hitoshi; Thalji, Reema; Bergman, Robert & Ellman, Jonathan
Partner: UNT Libraries Government Documents Department

The Efficacy of Oxidative Coupling for Promoting In-Situ Immobilization of Hydroxylated Aromatics in Contaminated Soil and Sediments Systems - Final Report

Description: The study clearly shows that the structure and composition of the organic matter of soils and sediments are essential considerations for the selection of materials for engineered applications of oxidative coupling processes. A rate model was developed to facilitate quantitative evaluation and mechanistic interpretation of these fairly complex coupling processes.
Date: October 1, 2000
Creator: Weber Jr., W. J.
Partner: UNT Libraries Government Documents Department

Spontaneous and stimulated Raman studies of vibrational dephasing in condensed phases

Description: Vibrational dephasing in condensed phases is studied from both a theoretical and experimental standpoint. A theory is presented which describes the dynamics of motional or exchange processes in weakly perturbed systems. This general formalism, which has been previously used to describe motional narrowing in magnetic resonance, is applied to vibrational spectroscopy. The model treats the case of a high frequency vibration anharmonically coupled to a low-frequency vibration. Intermolecular exchange of low frequency vibrational quanta results in a temperature dependent broadening and frequency shift of the high frequency vibration. Analysis of experimental data by this model yields both the exchange rates and the anharmonic couplings.
Date: May 1, 1980
Creator: Cornelius, P.A.
Partner: UNT Libraries Government Documents Department

Multiphoton ionization and excitation spectroscopy of molecules in liquids. [Fluoranthene]

Description: The two-photon ionization and excitation spectra of fluoranthene in liquid n-pentane have been measured and together with laser power versus signal intensity measurements have been utilized to elucidate the multiphoton ionization mechanism for this and other molecules in liquids.
Date: January 1, 1984
Creator: Siomos, K.; Faidas, H. & Christophorou, L.G.
Partner: UNT Libraries Government Documents Department

Photoinduced electron transfer and fluorescence mechanisms in covalently linked polynuclear aromatic-nucleotide complexes

Description: The fluorescence of polycyclic aromatic hydrocarbon-nucleic acid complexes is quenched by photoinduced electron transfer mechanisms in aqueous solutions at ambient temperatures. These effects are illustrated with the biologically important compound benzo(a)pyrene-7,8-diol-9,10-epoxide (BPDE), a mutagenic and carcinogenic metabolite of the environmental pollutant benzo(a)pyrene, which forms covalent mutagenic lesions with 2{prime}-deoxyguanosine (dG) residues in DNA. The dependence of the fluroescence yeild and fluorescence decay times of the covalent model adduct (+)-trans-BPDE-N{sup 2}-dG as a function of temperature and methanol/water composition are described. Because of the sensitivity of the fluorescence of the pyrenyl residue to the polarity of the microenvironment, the magnitude of the fluorescence yield can be used to distinguish between highly hydrophobic (e.g. intercalation) and other more solvent-exposed BPDE-nucleic acid binding sites.
Date: January 1, 1992
Creator: Geacintov, N. E.; Mao, Bing; Zhao, Rushen; Chen, Junxin; Liu, Tong Ming; Ya, Nai-Qi (New York Univ., NY (United States). Dept. of Chemistry) et al.
Partner: UNT Libraries Government Documents Department

Vicarious amination of nitroarenes with trimethylhydrazinium iodine

Description: This paper investigated the use of 1,1,1-trimethylhydrazinium iodide as a vicarious nucleophilic substitution reagent for introducing amino groups into nitroaromatic substrates. The substrates included nitroarenes, polynitrobenzenes, picramide, TNB,TNT, and dinitropyrazole; other nitroazoles are being studied.
Date: November 10, 1995
Creator: Pagoria, P.F.; Schmidt, R.D. & Mitchell, A.R.
Partner: UNT Libraries Government Documents Department

New aminating reagents forthe synthesis of 1,3,5-Triamino-2,4,6-Trinitrobenzene (TATB) and other insensitive energetic materials

Description: We are investigating the amination of electrophilic aromatic systems through the use of Vicarious Nucleophilic Substitution (VNS) chemistry. This research has led to a new synthesis of 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB) and 1,3-diamino-2,4,6-trinitrobenzene (DATB) which uses 2,4,6-trinitroaniline (picramide) or 1,3,5-trinitrobenzene as starting materials. We also describe the development of a new class of VNS aminating reagents based on quarternary hydrazinium halides. 1,1,1-Trimethylhydrazinium iodide (TMHI), available from the methylation of the surplus propellant uns-dimethylhydrazine (UDMH), was used in a new synthesis of TATB. The advantages, scope and limitations of the VNS approach to the synthesis of TATB and other amino-substituted nitroarenes are discussed.
Date: September 19, 1995
Creator: Pagoria, P.F.; Mitchell, A.R. & Schmidt, R.D.
Partner: UNT Libraries Government Documents Department

Multiphoton ionization of ions, neutrals, and clusters. Final report

Description: A multiyear research program investigating molecular detection methods based on multiphoton spectroscopy has been completed under DOE sponsorship. A number of new laser-based spectroscopic methods were developed and applied to a variety of aromatic hydrocarbons, including monomer and cluster species. The objectives of sensitivities approaching single molecule detection combined with high selectivity were achieved. This report references the status of the field at the beginning of this work and summarizes the significant progress during the period from 1987 onward. Detailed scientific findings from the studies are presented in the published literature referenced throughout this report.
Date: December 28, 1995
Creator: Wessel, J.
Partner: UNT Libraries Government Documents Department

Aggregation of dialkyl-substituted diphosphonic acids and its effect on metal ion extraction.

Description: Solvent extraction reagents containing the diphosphonic acid group exhibit an extraordinary affinity for tri-, tetra- and hexavalent actinides. Their use has been considered for actinide separation and pre-concentration procedures. Solvent extraction data obtained with P,P{prime}-di(2-ethylhexyl) methane-, ethane- and butanediphosphonic acids exhibit features that are difficult to explain without Knowledge of the aggregation state of the extractants. Information about the aggregation of the dialkyl-substituted diphosphonic acids in aromatic diluents has been obtained using the complementary techniques of vapor pressure osmometry (VPO), small angle neutron scattering (SANS), infrared spectroscopy and molecular mechanics. The results from these techniques provide an understanding of the aggregation behavior of these extractants that is fully compatible with the solvent extraction data. The most important results and their relevance to solvent extraction are reviewed in this paper.
Date: October 22, 1999
Creator: Chiarizia, R.; Barrans, R. E., Jr.; Ferraro, J. R. Herlinger, A. W. & McAlister, D. R.
Partner: UNT Libraries Government Documents Department


Description: Western Research Institute (WRI) is commercializing Diesel Dog Portable Soil Test Kits for performing analysis of fuel-contaminated soils in the field. The technology consists of a method developed by WRI (U.S. Patents 5,561,065 and 5,976,883) and hardware developed by WRI that allows the method to be performed in the field (patent pending). The method is very simple and does not require the use of highly toxic reagents. The aromatic components in a soil extract are measured by absorption at 254 nm with a field-portable photometer. WRI added significant value to the technology by taking the method through the American Society for Testing and Materials (ASTM) approval and validation processes. The method is designated ASTM Method D-5831-96, Standard Test Method for Screening Fuels in Soils. This ASTM designation allows the method to be used for federal compliance activities. In FY 99, twenty-five preproduction kits were successfully constructed in cooperation with CF Electronics, Inc., of Laramie, Wyoming. The kit components work well and the kits are fully operational. In the calendar year 2000, kits were provided to the following entities who agreed to participate as FY 99 and FY 00 JSR (Jointly Sponsored Research) cosponsors and use the kits as opportunities arose for field site work: Wyoming Department of Environmental Quality (DEQ) (3 units), F.E. Warren Air Force Base, Gradient Corporation, The Johnson Company (2 units), IT Corporation (2 units), TRC Environmental Corporation, Stone Environmental, ENSR, Action Environmental, Laco Associates, Barenco, Brown and Caldwell, Dames and Moore Lebron LLP, Phillips Petroleum, GeoSyntek, and the State of New Mexico. By early 2001, ten kits had been returned to WRI following the six-month evaluation period. On return, the components of all ten kits were fully functional. The kits were upgraded with circuit modifications, new polyethylene foam inserts, and updated instruction manuals.
Date: May 31, 2001
Partner: UNT Libraries Government Documents Department

Electrochemically-modulated liquid chromatography (EMLC): Column design, retention processes, and applications

Description: This work describes the continued development of a new separation technique, electrochemically-modulated liquid chromatography (EMLC), from column design, retention mechanisms to pharmaceutical applications. The introduction section provides a literature review of the technique as well as a brief overview of the research in each of the chapters. This section is followed by four chapters which investigate the issues of EMLC column design, the retention mechanism of monosubstituted aromatic compounds, and the EMLC-based applications to two important classes of pharmaceutical compounds (i.e., corticosteroids and benzodiazepines). These four sections have been removed to process separately for inclusion on the database. The dissertation concludes with a general summary, a prospectus, and a list of references cited in the General Introduction. 32 refs.
Date: October 8, 1997
Creator: Ting, E. Y.
Partner: UNT Libraries Government Documents Department

Cyclodextrin-based chemical microsensors for Volatile Organic Compounds (VOCs)

Description: This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). This project addressed the development of surface-acoustic-wave (SAW)-based chemical sensors for remote, real-time sensing in air, groundwater, and possibly soil, of chlorinated and aromatic hydrocarbons using innovative molecular self-assembly techniques. Our goal is parts per billion (ppb) sensitivity to specific aromatic and chlorinated hydrocarbons using cyclodextrin as the selective layer of a SAW-based mass sensor. We have demonstrated that SAW sensors can differentiate between compounds with similar composition, structure, and polarity. These efforts, however, can be enhanced by using sensor arrays and smart data processing systems. Secondly, ionic interactions provide a convenient way to fabricate thin films for sensor applications. The potential of these thin films for sensor applications is currently being evaluated. 3 figs.
Date: December 31, 1998
Creator: Li, DeQuan
Partner: UNT Libraries Government Documents Department

Ion kinetics and thermochemistry pertinent to mass spectrometric organic speciation. Progress report, November 15, 1992--14 November 1995

Description: Essentially all of the completed/in progress studies during the last contract period have involved the NIST HPMS unit. Three distinct areas of in-house research are recognizable: (i) determinations of binding energies and entropies for association and cluster ions, which is accomplished by measuring the temperature dependence of the appropriate equilibrium, (ii) measurement of the temperature dependence unimolecular and bimolecular rate constants, and (iii) evaluation of PA`s, HA`s, and IP`s via measurement of variable-temperature equilibria of the type AH{sup +} + B {leftrightarrow} BH{sup +} + A, A{sup -} + BH {leftrightarrow} AH + B{sup -}, and A{sup +} + B {leftrightarrow} B+ + A. Key results from some representative projects are summarized below.
Date: May 1, 1998
Creator: Sieck, L.W.
Partner: UNT Libraries Government Documents Department

Novel sulfonate containing ET based synmetals.

Description: Electrocrystallization of ET in the presence of aromatic and aliphatic sulfonate anions has led to many new ET salts. These new ET based sulfonate complexes are characterized with use of x-ray diffraction, four-probe conductivity measurements, ESR and Raman spectroscopes. A new {kappa}(4x4) donor packing motif was observed in (ET){sub 2}(C{sub 6}H{sub 5}CH{sub 2}SO{sub 3})H{sub 2}O. Strong hydrogen bonding between the sulfonate anion S-O and the donor ethylene C-H provides the driving force for the ET salt formation. Many of these new sulfonate salts are highly conductive with some remaining metallic to {approximately}4 K.
Date: July 31, 1998
Creator: Wang, H. H.
Partner: UNT Libraries Government Documents Department

The chemical constitution of Pocahontas No. 3 coal

Description: A new method for the definition of the larger aromatic structural elements in high-rank coals has been developed. The procedure involves the oxidative decom-position of the coal with oxygen in basic solution and the subsequent decarboxylation of the aromatic arboxylic acids to yield a mixture of aromatic compounds that can readily be analyzed by conventional methods. This approach has been tested with pure compounds and applied to Pocahontas No. 3 coal.
Date: December 31, 1995
Creator: Stock, L.M. & Obeng, M.
Partner: UNT Libraries Government Documents Department


Description: This report is part on the ongoing effort at Brown University and Ohio State University to develop structure based models of coal combustion. A very fundamental approach is taken to the description of coal chars and their reaction processes, and the results are therefore expected to have broad applicability to the spectrum of carbon materials of interest in energy technologies. This quarter, our work on structure development in carbons continued. A combination of hot stage in situ and ex situ polarized light microscopy was used to identify the preferred orientational of graphene layers at gas interfaces in pitches used as carbon material precursors. The experiments show that edge-on orientation is the equilibrium state of the gas/pitch interface, implying that basal-rich surfaces have higher free energies than edge-rich surfaces in pitch. This result is in agreement with previous molecular modeling studies and TEM observations in the early stages of carbonization. The results may have important implications for the design of tailored carbons with edge-rich or basal-rich surfaces. In the computational chemistry task, we have continued our investigations into the reactivity of large aromatic rings. The role of H-atom abstraction as well as radical addition to monocyclic aromatic rings has been examined, and a manuscript is currently being revised after peer review. We have also shown that OH radical is more effective than H atom in the radical addition process with monocyclic rings. We have extended this analysis to H-atom and OH-radical addition to phenanthrene. Work on combustion kinetics focused on the theoretical analysis of the data previously gathered using thermogravametric analysis.
Date: May 3, 2000
Creator: Hurt, Robert H. & Suuberg, Eric M.
Partner: UNT Libraries Government Documents Department